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170908-81-3

Name 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 1-(2,5-dioxo-1-pyrrolidinyl) ester
CAS 170908-81-3
Molecular Formula C20H31N5O10
MDL Number MFCD23381190
Molecular Weight 501.49
MOL File 170908-81-3.mol
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Chemical Properties

Boiling point  743.7±70.0 °C(Predicted)
density  1.51±0.1 g/cm3(Predicted)
solubility  DMSO: 50 mg/mL (99.70 mM)
form  Solid
pka 2.46±0.10(Predicted)
color  White to off-white
InChI InChI=1S/C20H31N5O10/c26-15-1-2-16(27)25(15)35-20(34)14-24-9-7-22(12-18(30)31)5-3-21(11-17(28)29)4-6-23(8-10-24)13-19(32)33/h1-14H2,(H,28,29)(H,30,31)(H,32,33)
InChIKey XSVWFLQICKPQAA-UHFFFAOYSA-N
SMILES N1(CC(ON2C(=O)CCC2=O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1

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